Basic information
- CAS
1094382-05-4- Standard SMILES
CC(=O)c1ccc(OCc2nccn2C)cc1- InChIKey
WHBBMCFOFMDJBZ-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- 1-{4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}ethan-1-one
- IUPAC
- 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanone
- English name
- 1-{4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}ethan-1-one
- Molecular formula
- C13H14N2O2
- Molecular weight
- 230.26
Names & synonyms
1-{4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}ethan-1-one1094382-05-41-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanone1-(4-[(1-methyl-1h-imidazol-2-yl)methoxy]phenyl)ethan-1-oneAKOS008122398CS-0249551EN300-43866G43559Z381423700Ethanone, 1-[4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl]-
Database identifiers
- CAS
1094382-05-4- PubChem CID
- 39201893
- EC Number
- 156-800-6
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 448.3 · 448.3±25.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 6.54 · 6.54±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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